1-(3-bromophenyl)-3-[[1-[(2,5-dimethylphenyl)methyl]pyrrol-2-yl]methyl]urea

Systemtic Name: 1-(3-bromophenyl)-3-[[1-[(2,5-dimethylphenyl)methyl]pyrrol-2-yl]methyl]urea Openeye Name: 1-(3-bromophenyl)-3-[[1-[(2,5-dimethylphenyl)methyl]pyrrol-2-yl]methyl]urea CAS Name: 1-(3-bromophenyl)-3-[[1-[(2,5-dimethylphenyl)methyl]-2-pyrrolyl]methyl]urea IUPAC Name: 1-(3-bromophenyl)-3-[[1-[(2,5-dimethylphenyl)methyl]pyrrol-2-yl]methyl]urea Traditional Name: 1-(3-bromophenyl)-3-[[1-(2,5-dimethylbenzyl)pyrrol-2-yl]methyl]urea Formula: C21H22BrN3O MolecularWeight: 412.32288

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)CN2C=CC=C2CNC(=O)NC3=CC(=CC=C3)Br

Isomeric SMILES

CC1=CC(=C(C=C1)C)CN2C=CC=C2CNC(=O)NC3=CC(=CC=C3)Br

InChI

InChI=1S/C21H22BrN3O/c1-15-8-9-16(2)17(11-15)14-25-10-4-7-20(25)13-23-21(26)24-19-6-3-5-18(22)12-19/h3-12H,13-14H2,1-2H3,(H2,23,24,26)